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Machine intelligence-driven framework for optimized hit selection in virtual screening.

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第一作者： Neeraj,Kumar

第一单位： Functional Genomics and Complex System Lab, Biotechnology Division,The Himalayan Centre for High-throughput Computational Biology (HiCHiCoB, A BIC Supported by DBT, India), CSIR-Institute of Himalayan Bioresource Technology, Palampur, 176061, Himachal Pradesh, India.;Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India.

作者： Neeraj,Kumar ^[1] ; Vishal,Acharya ^[2]

作者单位： Functional Genomics and Complex System Lab, Biotechnology Division,The Himalayan Centre for High-throughput Computational Biology (HiCHiCoB, A BIC Supported by DBT, India), CSIR-Institute of Himalayan Bioresource Technology, Palampur, 176061, Himachal Pradesh, India.;Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India. ^[1] Functional Genomics and Complex System Lab, Biotechnology Division,The Himalayan Centre for High-throughput Computational Biology (HiCHiCoB, A BIC Supported by DBT, India), CSIR-Institute of Himalayan Bioresource Technology, Palampur, 176061, Himachal Pradesh, India. vishal@ihbt.res.in.;Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India. vishal@ihbt.res.in. ^[2]

关键词 Deep learning Instance-based learning Lead optimization Machine-learning Virtual screening protocol

DOI 10.1186/s13321-022-00630-7

PMID 35869511

发布时间 2022-07-29

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